N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine

C9H14ClNO2 — CID 60662772

IUPACN-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1ccc(Cl)o1
InChIInChI=1S/C9H14ClNO2/c1-12-6-2-5-11-7-8-3-4-9(10)13-8/h3-4,11H,2,5-7H2,1H3
InChIKeyPFQAZHSTAZRTBJ-UHFFFAOYSA-N
MW203.67 g/mol
LogP2.06
Rot. Bonds6

About N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine

N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine (PubChem CID 60662772) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
PubChem CID60662772
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1ccc(Cl)o1
InChIInChI=1S/C9H14ClNO2/c1-12-6-2-5-11-7-8-3-4-9(10)13-8/h3-4,11H,2,5-7H2,1H3
InChIKeyPFQAZHSTAZRTBJ-UHFFFAOYSA-N
XLogP2.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 115710392
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886
ethyl 4-[(5-chlorofuran-2-yl)methylamino]butanoate
CID 60696105
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
CID 17206989
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine (CID 60662772) is N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine is COCCCNCc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine?
The InChIKey is PFQAZHSTAZRTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-12-6-2-5-11-7-8-3-4-9(10)13-8/h3-4,11H,2,5-7H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine?
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine has a molecular weight of 203.67 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 60662772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).